NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 L 4.4201 8.0276 122.7537 54.9793 43.7119 175.4796 10 L 4.9879 8.4403 125.6011 54.2644 42.8820 173.6233 11 L 4.9632 8.4757 119.2667 53.7628 47.4594 175.7490 12 E 5.0566 8.8903 117.1414 55.6909 33.8068 173.4927 13 C 5.4754 8.7722 116.7852 57.3239 31.5614 172.9057 14 T 4.4581 8.3433 117.8222 59.5963 69.7997 172.2090 15 E 3.8328 8.0486 130.6206 56.2864 30.7518 175.1009 16 C 3.9748 8.5946 125.7412 64.1208 27.9638 173.5745 17 K 4.3767 9.3616 124.3780 55.6551 30.2503 177.1549 18 R 4.5019 6.8243 116.6546 56.9707 33.7332 172.8227 19 R 4.4127 7.7923 120.4117 53.6723 28.1982 179.5484 20 N 3.8267 9.0051 112.4292 55.2646 38.5965 171.0437 21 Y 5.5662 8.0602 115.5121 58.3978 41.8366 173.9226 22 A 4.4254 8.2355 118.9224 52.0622 23.0832 173.3276 23 T 3.5590 8.1467 111.9480 61.5222 70.6136 171.3101 24 E 4.5372 8.7567 123.7361 56.4323 33.6883 174.6339 25 K 5.0630 8.2722 121.7224 57.1413 33.5766 175.3572 26 N 4.5923 8.6007 121.7367 53.5941 39.0399 174.8463 27 K 4.5172 8.0039 116.2099 55.9414 33.4485 178.2235 28 R 3.7276 8.2968 117.7478 57.1019 29.3493 176.6626 29 N 4.0473 8.2565 114.1174 55.5386 39.7855 174.7710 30 T 3.5705 8.5029 109.9088 63.3093 69.0877 173.8569 31 P 4.0018 0.0000 0.0000 62.5153 27.6074 174.0664 32 N 4.9998 8.5612 118.8391 51.5506 42.3407 172.2552 33 K 4.4618 9.9550 118.0270 55.5892 33.2322 175.0357 34 L 3.6740 8.1733 121.4645 55.7895 39.0788 174.7767 35 E 4.3391 8.5805 120.2345 55.8287 31.1471 176.1594 36 L 5.1902 8.2814 127.0271 56.0396 42.3522 174.5535 37 R 4.7493 8.5899 122.2104 53.8895 33.5774 175.2115 38 K 4.6890 8.4126 121.1446 56.3566 33.4842 175.0211 39 Y 4.5379 9.1137 123.6475 57.0726 42.9425 172.0645 40 C 4.6031 7.7822 126.0502 57.9147 31.2058 170.8363 41 P 5.1178 0.0000 0.0000 60.6024 33.4034 175.9861 42 W 5.0960 9.2134 130.8047 60.8452 30.7575 176.6734 43 C 4.4705 7.3136 118.4992 59.8460 29.8422 174.9419 44 R 3.8395 8.9486 128.9119 56.0051 28.7110 178.5580 45 K 4.5175 8.6590 105.3579 55.6469 36.1286 174.5932 46 H 4.7758 9.0710 120.3865 56.1920 30.3114 173.1602 47 T 4.7929 8.5977 107.8256 61.3752 72.0456 174.3769 48 V 4.2631 8.4344 118.8337 61.3732 32.8389 176.2858 49 H 4.3822 7.5759 112.6664 56.2003 26.8852 173.2609 50 R 5.1877 8.0366 123.2440 53.7414 33.1950 175.4622 51 E 4.6589 9.2222 121.0160 55.9029 30.5569 176.8530 52 V 4.4396 8.2581 125.5168 62.2900 33.4728 172.2139 *53 K 4.1074 8.5679 124.0709 54.9288 32.3038 173.8719 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 9 L 8.03 4.42 0.00 1.71 1.59 0.91 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 10 L 8.44 4.99 0.00 1.73 1.61 0.90 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.48 4.96 0.00 1.69 1.52 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.89 5.06 0.00 2.13 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.21 0.00 13 C 8.77 5.48 0.00 2.59 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 T 8.34 4.46 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 15 E 8.05 3.83 0.00 2.12 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 16 C 8.59 3.97 0.00 2.97 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 K 9.36 4.38 0.00 1.77 2.22 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.26 1.25 7.81 18 R 6.82 4.50 0.00 1.79 1.67 0.00 3.18 0.00 0.00 3.25 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.58 0.00 19 R 7.79 4.41 0.00 1.99 1.29 0.00 3.11 0.00 0.00 3.28 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 20 N 9.01 3.83 0.00 2.81 2.75 0.00 0.00 6.64 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 Y 8.06 5.57 0.00 2.94 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 A 8.24 4.43 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 T 8.15 3.56 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 24 E 8.76 4.54 0.00 1.88 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.31 0.00 25 K 8.27 5.06 0.00 1.81 1.81 0.00 1.60 0.00 0.00 1.55 0.00 0.00 2.79 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.36 7.81 26 N 8.60 4.59 0.00 2.73 2.89 0.00 0.00 6.95 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.00 4.52 0.00 1.69 1.75 0.00 1.90 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.32 1.37 7.81 28 R 8.30 3.73 0.00 1.91 1.77 0.00 3.25 0.00 0.00 3.22 7.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 29 N 8.26 4.05 0.00 2.73 2.71 0.00 0.00 6.82 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 T 8.50 3.57 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 31 P 0.00 4.00 0.00 2.10 2.15 0.00 3.63 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.12 0.00 32 N 8.56 5.00 0.00 2.59 2.77 0.00 0.00 7.31 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 9.96 4.46 0.00 1.88 1.92 0.00 1.97 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.24 1.15 7.81 34 L 8.17 3.67 0.00 1.79 1.73 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.58 4.34 0.00 2.12 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.30 0.00 36 L 8.28 5.19 0.00 2.00 1.63 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 37 R 8.59 4.75 0.00 1.69 1.93 0.00 3.36 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.67 0.00 38 K 8.41 4.69 0.00 1.83 1.77 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.49 1.62 7.81 39 Y 9.11 4.54 0.00 2.93 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 C 7.78 4.60 0.00 2.46 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 5.12 0.00 2.35 2.29 0.00 3.85 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.22 0.00 42 W 9.21 5.10 0.00 3.21 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 C 7.31 4.47 0.00 3.08 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 R 8.95 3.84 0.00 1.97 1.49 0.00 3.33 0.00 0.00 3.19 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.68 0.00 45 K 8.66 4.52 0.00 1.65 1.69 0.00 1.88 0.00 0.00 1.84 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.28 1.30 7.81 46 H 9.07 4.78 0.00 3.20 3.51 0.00 5.54 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 8.60 4.79 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 48 V 8.43 4.26 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.95 0.00 0.00 49 H 7.58 4.38 0.00 3.50 3.31 0.00 6.04 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.04 5.19 0.00 1.70 1.80 0.00 3.31 0.00 0.00 3.40 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.53 0.00 51 E 9.22 4.66 0.00 1.94 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.27 0.00 52 V 8.26 4.44 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 1.00 0.00 0.00 *53 K 8.57 4.11 0.00 1.54 1.66 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.